| SpectraBase Compound ID | BVnFRwh88Tw |
|---|---|
| InChI | InChI=1S/C62H92O23/c1-30(64)38-19-22-62(72)60(38,7)45(81-46(67)16-15-35-13-11-10-12-14-35)28-44-59(6)20-18-37(23-36(59)17-21-61(44,62)71)79-47-24-39(65)54(31(2)75-47)82-48-25-40(66)55(32(3)76-48)83-49-26-41(73-8)56(33(4)77-49)84-50-27-42(74-9)57(34(5)78-50)85-58-53(70)52(69)51(68)43(29-63)80-58/h10-17,31-34,37-45,47-58,63,65-66,68-72H,18-29H2,1-9H3/b16-15+/t31-,32+,33-,34+,37+,38+,39+,40-,41+,42+,43-,44-,45-,47-,48-,49+,50-,51-,52+,53-,54+,55+,56-,57+,58+,59+,60+,61+,62-/m1/s1 |
| InChIKey | LKYJPPBYGSUYGF-MVCCNCEXSA-N |
| Mol Weight | 1205.4 g/mol |
| Molecular Formula | C62H92O23 |
| Exact Mass | 1204.602939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1W49Mi1o9V |
|---|---|
| Name | #17;SYRIACOSIDE-M;IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H92O23 |
| InChI | InChI=1S/C62H92O23/c1-30(64)38-19-22-62(72)60(38,7)45(81-46(67)16-15-35-13-11-10-12-14-35)28-44-59(6)20-18-37(23-36(59)17-21-61(44,62)71)79-47-24-39(65)54(31(2)75-47)82-48-25-40(66)55(32(3)76-48)83-49-26-41(73-8)56(33(4)77-49)84-50-27-42(74-9)57(34(5)78-50)85-58-53(70)52(69)51(68)43(29-63)80-58/h10-17,31-34,37-45,47-58,63,65-66,68-72H,18-29H2,1-9H3/b16-15+/t31-,32+,33-,34+,37+,38+,39+,40-,41+,42+,43-,44-,45-,47-,48-,49+,50-,51-,52+,53-,54+,55+,56-,57+,58+,59+,60+,61+,62-/m1/s1 |
| InChIKey | LKYJPPBYGSUYGF-MVCCNCEXSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,177(2009) |
| Literature Reference DOI | 10.1248/cpb.57.177 |
| Molecular Weight | 1205.399 g/mol |
| Sample ID | 2250 |
| Solvent | C5D5N |